Optimizing Chain Topology of Bottle Brush Copolymer for Promoting the Disorder-to-Order Transition

Jihoon Park, Hyun Woo Shin, Joona Bang, June Huh

Research output: Contribution to journalArticlepeer-review


The order-disorder transitions (ODT) of core-shell bottle brush copolymer and its structural isomers were investigated by dissipative particle dynamics simulations and theoretically by random phase approximation. Introducing a chain topology parameter λ which parametrizes linking points between M diblock chains each with N monomers, the degree of incompatibility at ODT ((χN)ODT; χ being the Flory–Huggins interaction parameter between constituent monomers) was predicted as a function of chain topology parameter (λ) and the number of linked diblock chains per bottle brush copolymer (M). It was found that there exists an optimal chain topology about λ at which (χN)ODT gets a minimum while the domain spacing remains nearly unchanged. The prediction provides a theoretical guideline for designing an optimal copolymer architecture capable of forming sub-10 nm periodic structures even with non-high χ components.

Original languageEnglish
Article number5374
JournalInternational journal of molecular sciences
Issue number10
Publication statusPublished - 2022 May 2


  • block copolymer
  • bottle brush copolymer
  • order-disorder transition

ASJC Scopus subject areas

  • Catalysis
  • Molecular Biology
  • Spectroscopy
  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry


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